SCHEMBL8552268

SCHEMBL8552268

Cc1nn(CCO)c(N)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.48
NR1I2 O75469 1/20 0.48
AHR P35869 1/20 0.48
BRD4 O60885 1/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PIK3CG P48736 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7352542 0.84 TSHR (0.56) TSHRMAPTALDH1A1NR1I2AHR
SCHEMBL11576859 0.82 MAPT (0.54) TSHRMAPTALDH1A1NR1I2AHR
SCHEMBL2200208 0.81 TSHR (0.54) TSHRMAPTALDH1A1NR1I2AHR
SCHEMBL7302490 0.80 TSHR (0.59) TSHRMAPTALDH1A1LMNAMEN1
SCHEMBL8553278 0.80 TSHR (0.52) TSHRMAPTALDH1A1NR1I2AHR
SCHEMBL8552869 0.80 TSHR (0.52) TSHRMAPTALDH1A1NR1I2AHR
SCHEMBL7305763 0.76 TSHR (0.55) TSHRMAPTALDH1A1NR1I2AHR
SCHEMBL33720 0.76 HTT (0.44) MAPTALDH1A1NR1I2AHRBRD4
SCHEMBL12335146 0.76 CYP1A2 (0.41) MAPTALDH1A1NR1I2AHRBRD4
Hydrochloric Acid SCHEMBL6278290 0.74 HTT (0.42) MAPTALDH1A1NR1I2AHRBRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed